Molecule

ID:60817

General Information
Structure
MolImage
Molecular Formula
C₈H₇Cl₂NOS
Molecular Mass
236.11828
Exact Mass
234.96254021
Charge
0
InChI
InChI=1S/C8H7Cl2NOS/c9-5-1-2-7(6(10)3-5)11-8(12)4-13/h1-3,13H,4H2,(H,11,12)
InChIKey
JEMVBIAKJHVUDN-UHFFFAOYSA-N
Canonic Smiles
SCC(=O)Nc1ccc(cc1Cl)Cl
Isomeric Smiles
N(c1c(cc(cc1)Cl)Cl)C(=O)CS
Calculated Properties
JChem
Acid pKa
9.446722
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
2.6455655
LogD (pH = 7.4)
2.6420088
Log P
2.645611
Molar Refractivity
58.3598
Polarizability
22.08297
Polar Surface Area
29.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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